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Search for "numerical simulation" in Full Text gives 54 result(s) in Beilstein Journal of Nanotechnology.

The memory effect of nanoscale memristors investigated by conducting scanning probe microscopy methods

  • César Moreno,
  • Carmen Munuera,
  • Xavier Obradors and
  • Carmen Ocal

Beilstein J. Nanotechnol. 2012, 3, 722–730, doi:10.3762/bjnano.3.82

Graphical Abstract
  • electrical measurement of the I–V characteristic in contact mode, an enormous electric field can be generated considering the small tip–sample contact area and the Schottky-like tip–film contact. Numerical simulation for 60 nm thick films shows that the electric field within a few nanometres from the tip
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Published 06 Nov 2012

Dipole-driven self-organization of zwitterionic molecules on alkali halide surfaces

  • Laurent Nony,
  • Franck Bocquet,
  • Franck Para,
  • Frédéric Chérioux,
  • Eric Duverger,
  • Frank Palmino,
  • Vincent Luzet and
  • Christian Loppacher

Beilstein J. Nanotechnol. 2012, 3, 285–293, doi:10.3762/bjnano.3.32

Graphical Abstract
  • conformation of the molecule adsorbed on the surface, we compare the experimentally determined parameters with the possible molecular conformations (the so-called scorpion- or agraffe-like conformation obtained by numerical simulation of a single molecule in vacuum, see Figure 1). Note that the comparison
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Published 27 Mar 2012

An NC-AFM and KPFM study of the adsorption of a triphenylene derivative on KBr(001)

  • Antoine Hinaut,
  • Adeline Pujol,
  • Florian Chaumeton,
  • David Martrou,
  • André Gourdon and
  • Sébastien Gauthier

Beilstein J. Nanotechnol. 2012, 3, 221–229, doi:10.3762/bjnano.3.25

Graphical Abstract
  • (CD2Cl2, 75 MHz) δ 149.1, 124.4, 108.1, 67.8, 26.2, 14.9 ppm; MS m/z (DCI, NH3): 728 [M + H]+; Anal. calcd for C42H42N6O6: C, 69.4; H, 5.8; found: C, 69.2; H, 6.1. Numerical simulation The geometry of the molecule adsorbed on KBr(001) was optimized by using Materials Studio [35] with the COMPASS force
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Published 12 Mar 2012

Extended X-ray absorption fine structure of bimetallic nanoparticles

  • Carolin Antoniak

Beilstein J. Nanotechnol. 2011, 2, 237–251, doi:10.3762/bjnano.2.28

Graphical Abstract
  • from the absorber, which is essential for any numerical EXAFS analysis on the basis of Equation 9. In addition, the elemental species of backscattering atoms have to be known for subsequent fitting of the numerical simulation to the experimental data. For a proper FT of experimental data, χ(k) is
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Published 11 May 2011
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